1,3,6-Heptatriene, 5-methyl-

• Formula: C₈H₁₂
• Molecular weight: 108.1809
• IUPAC Standard InChI: InChI=1S/C8H12/c1-4-6-7-8(3)5-2/h4-8H,1-2H2,3H3/b7-6+ Copy

  
• IUPAC Standard InChIKey: NDRUXLROLQGDNL-VOTSOKGWSA-N Copy
• CAS Registry Number: 925-52-0
• Chemical structure:
  This structure is also available as a 2d Mol file or as a computed 3d SD file
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• Other names: CH2=CHCH=CHCH(CH3)CH=CH2; 5-Methyl-1,3,6-heptatriene
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• Information on this page:
  • Gas phase ion energetics data
  • References
  • Notes
• Other data available:
  • IR Spectrum
  • Mass spectrum (electron ionization)
  • Gas Chromatography
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Gas phase ion energetics data

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled as indicated in comments:
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard

View reactions leading to C₈H₁₂⁺ (ion structure unspecified)

Ionization energy determinations

Appearance energy determinations

References

Go To: Top, Gas phase ion energetics data, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Groenwold and Gross, 1984
Groenwold, G.S.; Gross, M.L., Cation radical diels-alder reaction of 1,3-butadiene: A two-step cycloaddition, J. Am. Chem. Soc., 1984, 106, 6569. [all data]

Notes

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• Symbols used in this document:
  

  AE	Appearance energy

• Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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